[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride

C10H13ClO3S — CID 117117226

IUPAC[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
SMILESCOC(C)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H13ClO3S/c1-8(14-2)10-5-3-4-9(6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyIXRJPDPARIXOCW-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.46
Rot. Bonds4

About [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride

[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride (PubChem CID 117117226) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
PubChem CID117117226
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride
SMILESCOC(C)c1cccc(CS(=O)(=O)Cl)c1
InChIInChI=1S/C10H13ClO3S/c1-8(14-2)10-5-3-4-9(6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3
InChIKeyIXRJPDPARIXOCW-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225
(3-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710323
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
1-(1-methoxyethyl)-3-(methoxymethyl)benzene
CID 19879643
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
[3-(2-hydroxy-2-methylpropyl)phenyl]methanesulfonyl chloride
CID 117117239
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
CID 117434501

Frequently Asked Questions

What is the IUPAC name of [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride (CID 117117226) is [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride is COC(C)c1cccc(CS(=O)(=O)Cl)c1.
What is the InChIKey of [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride?
The InChIKey is IXRJPDPARIXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-8(14-2)10-5-3-4-9(6-10)7-15(11,12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride?
[3-(1-methoxyethyl)phenyl]methanesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methoxyethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117117226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).